Geometry & MOs

Info

ID:	312417
PubChem CID:	126604745
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	387.049353
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	4.85
IP(EA), eV:	-9.55(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-6-(azidomethyl)-6-methyl-4-methylsulfonyl-3-sulfanyl-7H-2-benzothiophene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC=C1)C(C)(C)NC=O)N

DOS

IR

Vibrations